[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine

C13H14N4S — CID 107979326

IUPAC[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2cccc3ccsc23)c1
InChIInChI=1S/C13H14N4S/c1-17-7-11(15-8-17)12(16-14)10-4-2-3-9-5-6-18-13(9)10/h2-8,12,16H,14H2,1H3
InChIKeyGRJFBIOCKZMOGH-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.19
Rot. Bonds3

About [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine

[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 107979326) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine
PubChem CID107979326
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2cccc3ccsc23)c1
InChIInChI=1S/C13H14N4S/c1-17-7-11(15-8-17)12(16-14)10-4-2-3-9-5-6-18-13(9)10/h2-8,12,16H,14H2,1H3
InChIKeyGRJFBIOCKZMOGH-UHFFFAOYSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805130
[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332
[1-benzothiophen-7-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105327655
[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105327623
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-2-yl(1-benzothiophen-7-yl)methyl]hydrazine
CID 105327686
[1-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine (CID 107979326) is [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine is Cn1cnc(C(NN)c2cccc3ccsc23)c1.
What is the InChIKey of [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is GRJFBIOCKZMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-17-7-11(15-8-17)12(16-14)10-4-2-3-9-5-6-18-13(9)10/h2-8,12,16H,14H2,1H3.
What are the key properties of [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 258.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 107979326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).